SCHEMBL6315312

SCHEMBL6315312

Nc1ncc(-c2ccc(OCCN3CCCCC3)cc2)c(Nc2cnc3ccccc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.54
KDR P35968 2/20 0.54
EGFR P00533 1/20 0.54
INSR P06213 1/20 0.54
MET P08581 1/20 0.54
CDK2 P24941 1/20 0.54
TEK Q02763 1/20 0.54
ACHE P22303 3/20 0.46
MAOB P27338 1/20 0.46
LTA4H P09960 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
BACE1 P56817 4/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6321509 0.96 IGF1R (0.60) IGF1RKDREGFRINSRMET
SCHEMBL6313606 0.82 EGFR (0.46) IGF1RKDREGFRINSRMET
SCHEMBL6314437 0.82 EGFR (0.46) IGF1RKDREGFRINSRMET
SCHEMBL6671954 0.81 IGF1R (0.67) IGF1RKDREGFRINSRMET
SCHEMBL6320672 0.80 MAPT (0.50) EGFRMAOB
SCHEMBL6313731 0.80 PIK3CA (0.41) IGF1RKDRTEKADORA2AADORA1
SCHEMBL6312312 0.79 IGF1R (0.49) IGF1RKDREGFRINSRMET
SCHEMBL6318862 0.77 DHFR (0.56) IGF1RKDRADORA2AADORA1
SCHEMBL6313126 0.77 HTR3A (0.52) IGF1REGFRMETSRC
SCHEMBL6318945 0.76 TNF (0.44) KDREGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT IGF1R 4054/4885KDR 2148/4885EGFR 1302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.